({[(tert-butoxy)carbonyl]amino}amino)(cyclopropyl)methanone

• ChemBase ID: 289972
• Molecular Formular: C9H16N2O3
• Molecular Mass: 200.23494
• Monoisotopic Mass: 200.11609238
• SMILES: O=C(NNC(=O)OC(C)(C)C)C1CC1
• Canonical SMILES: O=C(OC(C)(C)C)NNC(=O)C1CC1
• InChI: InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-10-7(12)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)
• InChIKey: RUSQVAKYNDQLGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[(tert-butoxy)carbonyl]amino}amino)(cyclopropyl)methanone
• IUPAC Traditional name: {[(tert-butoxycarbonyl)amino]amino}(cyclopropyl)methanone
• Synonyms: tert-Butyl 2-(cyclopropanecarbonyl)hydrazinecarboxylate

Database IDs

• CAS Number: 851295-78-8
• PubChem SID: 180675503
• PubChem CID: 53535736

CALCULATED PROPERTIES

• Acid pKa: 10.369579
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8333041
• LogD (pH = 7.4): 0.8328968
• Log P: 0.8333093
• Molar Refractivity: 50.1602 cm^3
• Polarizability: 19.763334 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%